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CHEBI:129234 - [(1S)-1'-(cyclopropylmethyl)-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol

ChEBI IDCHEBI:129234
ChEBI Name[(1S)-1'-(cyclopropylmethyl)-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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DownloadsMolfile
FormulaC26H30FN3O2
Net Charge0
Average Mass435.543
Monoisotopic Mass435.23221
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CN(CC2CC2)C1
InChIInChI=1S/C26H30FN3O2/c1-32-19-8-9-20-22(10-19)28-25-23(13-31)30(12-18-4-2-3-5-21(18)27)16-26(24(20)25)14-29(15-26)11-17-6-7-17/h2-5,8-10,17,23,28,31H,6-7,11-16H2,1H3/t23-/m1/s1
InChIKeyJMZBJDDNBVRKTA-HSZRJFAPSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
[(1S)-1'-(cyclopropylmethyl)-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:129234) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
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